[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C25H19F3N2O2 MolecularWeight: 436.42577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C25H19F3N2O2/c1-16-8-6-13-22(17(16)2)30-23(15-21(29-30)18-9-4-3-5-10-18)32-24(31)19-11-7-12-20(14-19)25(26,27)28/h3-15H,1-2H3